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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM105238'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM105238
PNG
(US8575203, I-5 | US8580782, 6)
Show SMILES Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Cl)c2n1
Show InChI InChI=1S/C18H13ClFN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM105238
PNG
(US8575203, I-5 | US8580782, 6)
Show SMILES Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Cl)c2n1
Show InChI InChI=1S/C18H13ClFN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 64n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair